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[热点] 青年基金C终止 cstle 2026-01-27 刚刚
[DS/Syby ] [已完结]氨基酸羧基的两个氧原子为什么一样? (评阅+1) (2/1253) biogefart 2014-12-16 2014-12-17 15:15:55 by lsloneil
[MS] [已完结]求助:怎么用MS建立均聚物的粗粒化模型? (评阅+1) (0/1003) ly_ceng 2014-12-17 2014-12-17 14:48:38 by ly_ceng
[MS] [已完结]扩散系数 (评阅+1) (0/326) 虫虫小小小 2014-12-17 2014-12-17 13:40:36 by 虫虫小小小
[Gromacs ] [已完结]求助 (0/402) 也许以后 2014-12-17 2014-12-17 10:53:30 by 也许以后
[Gromacs ] [已完结]动力学负载平衡 (评阅+1) (0/222) cyl001 2014-12-17 2014-12-17 10:06:35 by cyl001
[MS] [已完结]【求助】equilibrium模块模拟问题 (评阅+1) (0/151) 809011916 2014-12-16 2014-12-16 22:40:31 by 809011916
[MS] [已完结]如何模拟聚合物共混后的材料性能 (评阅+1) (4/857) yunlonghan1 2014-12-16 2014-12-16 22:08:28 by pigrass
[DS/Syby ] [已完结]autogird时,没有glg文件,已更改路径,Ubuntu系统 (3/686) youkiwang 2014-12-15 2014-12-16 15:20:38 by pymol
[MS] [已完结]关于运用MS软件模拟聚合物溶度参数的问题 (0/463) 873051305 2014-12-16 2014-12-16 14:23:18 by 873051305
[Gromacs ] [已完结]求大神指点 (2/354) 白玉浴血 2014-12-16 2014-12-16 14:12:49 by 白玉浴血
[Gromacs ] 计算g_mmpbsa (1/1311) zhuimeng08 2014-10-15 2014-12-16 12:03:56 by atmdd
[Gromacs ] [已完结]Gromacs把蛋白的二级结构跑散了怎么办 (评阅+1) (3/790) maggie凤 2014-12-10 2014-12-16 11:51:00 by awaken2013
[DS/Syby ] [已完结]求助关于autodock柔性对接方法! (评阅+1) (5/1869) qiyenaihe 2014-12-10 2014-12-16 10:14:55 by qiyenaihe
[LAMMPS/ ] [已完结][关贴]MS生成lammps的data文件报错 (8/1884) 飞利白 2014-09-22 2014-12-16 06:02:03 by 自留地的主儿
[DS/Syby ] [已完结]求助帮忙解决一个关于“ Cost analysis”问题 (0/229) wuvictor 2014-12-15 2014-12-15 16:34:05 by wuvictor
[Gromacs ] [已完结]怎样使Gromacs得到的蛋白RMSF曲线更平滑一点 (0/586) maggie凤 2014-12-15 2014-12-15 16:30:34 by maggie凤
[LAMMPS/ ] [已完结]求助lammps里fix 命令随机数怎么取? (4/3374) 对天空说lrj 2014-09-29 2014-12-15 15:58:54 by chinaboy798
[MS] [已完结][关贴]请问Forcite模块如何添加外置静电场 (0/1202) xb490284223 2014-12-15 2014-12-15 15:15:01 by xb490284223
[专家会诊] 有没有高手用过Spartan’10这个分子模拟软件的,能否评价一下,或者给点经验 (3/878) skywind01 2012-12-13 2014-12-15 10:24:31 by ryxiao
[MS] [已完结]求助:VMD建模蛋白三聚体之间出现一些原来没有的键 (5/1248) 羽翼之南 2014-12-13 2014-12-14 21:23:28 by gn02530640
[DS/Syby ] [已完结]autodock使用时grid打开pdb文件打不开为什么,是不是软件安装有问题 (4/2326) fan728516414 2014-12-13 2014-12-14 20:29:19 by fan728516414
[专家会诊] [已完结]电导率-模拟 (评阅+1) (4/1502) zhang_jaj 2014-12-07 2014-12-14 16:22:25 by njuedu007
[资源] [已完结]有关非平衡态分子动力学模拟的经典文章 (0/1420) Y224365 2014-12-14 2014-12-14 16:05:15 by Y224365
[LAMMPS/ ] [已完结]DL_POLY计算error-65,恳请大师出手相助,拜上!!    ( 1 2 ) (评阅+2) (11/1030) wangyulinup 2014-12-04 2014-12-14 11:33:56 by wangyulinup
[Gromacs ] [已完结]gromacs运行npt (3/861) 明月照清渠 2014-12-12 2014-12-13 23:42:16 by 060622124
[LAMMPS/ ] [已完结][关贴]DL_POLY 缺陷数量计算 (0/369) 但丁 2014-12-13 2014-12-13 19:05:24 by 但丁
[其他] [已完结][关贴]关于Material Studio 的pdb输出档 (1/3727) gn02530640 2014-12-13 2014-12-13 18:08:05 by qchem
[Gromacs ] [已完结]gromacs中NVE参数的设定 (0/598) 明月照清渠 2014-12-13 2014-12-13 16:07:15 by 明月照清渠
[Gromacs ] [已完结]如何在VMD中将多个氨基酸连接起来 (4/1301) YAYA_Z 2014-12-12 2014-12-13 08:51:07 by YAYA_Z
[MS] [已完结]MS如何模拟解吸过程 (0/2054) fwforest 2014-12-13 2014-12-13 01:45:03 by fwforest
[资源] [已完结]求推荐专业的分子描述符的数据库? (1/858) 柳城洛雪 2014-12-12 2014-12-12 17:07:55 by 柳城洛雪
[MS] [已完结]力场 (0/321) 风铃儿0608 2014-12-12 2014-12-12 14:11:07 by 风铃儿0608
[Gromacs ] [已完结]如何调整体系在盒子中的位置 (0/1812) 水静花闲 2014-12-12 2014-12-12 09:42:09 by 水静花闲
[LAMMPS/ ] [已完结]CaCl2水合物的DFT模拟修正 (评阅+1) (0/442) 向日葵2012 2014-12-11 2014-12-11 21:38:15 by 向日葵2012
[MS] [已完结]无定型聚合物Cell的构建    ( 1 2 3 ) (评阅+1) (22/2953) staventchoke 2014-01-21 2014-12-11 17:48:31 by staventchoke
[MS] [已完结]退火过程 (评阅+1) (4/1865) 敏sunflower 2014-12-03 2014-12-11 15:42:00 by 豆豆sk8
[MS] 问一个关于聚合物体系平衡的问题 (评阅+1) (25/2374) wangzhikun 2013-12-01 2014-12-11 14:55:40 by 豆豆sk8
[MS] [已完结]remove polymer hierarchy是什么意思 (0/672) mengsk 2014-12-11 2014-12-11 14:26:05 by mengsk
[MS] [已完结]discover之后如何提取轨迹坐标? (7/1058) mxbn55 2014-10-09 2014-12-11 13:47:44 by wangfei天空
[其他] 【分享】【资源】《计算与模拟研究》第三期发布    ( 1 2 ) (评阅+20) (15/2476) yjcmwgk 2010-09-06 2014-12-11 13:35:52 by linwh
[MS] [已完结]Materials studio:CASTEP Calculation (1/1917) 小熊1025 2014-10-14 2014-12-10 17:39:51 by halojinqiu
[DS/Syby ] [已完结]请问有人用DS做出氧化还原酶的分子对接吗 (评阅+1) (1/340) ~小绿~ 2014-12-09 2014-12-10 16:32:36 by monsoncupid
[Gromacs ] [已完结]NAMD热容(Specific Heat Capacity)分析 - 如何计算 NVE 体系下的热容? (4/1257) gn02530640 2014-12-10 2014-12-10 12:33:23 by lsloneil
[LAMMPS/ ] [已完结]在做拉伸时,如何用施加力的方法进行加载? (评阅+1) (0/814) ch0722 2014-12-10 2014-12-10 11:40:54 by ch0722
[MS] MS中Focite模块优化时电荷变化问题 (0/366) 芝麻小迪 2014-12-10 2014-12-10 11:39:17 by 芝麻小迪
[LAMMPS/ ] 关于lammps的pppm计算 (0/2062) Iysonjoe 2014-12-10 2014-12-10 09:18:42 by Iysonjoe
[LAMMPS/ ] [已完结]lammps-cgpva (评阅+1) (4/701) greywood 2014-12-06 2014-12-10 02:00:57 by greywood
[LAMMPS/ ] [已完结]有关相互作用能的计算 (评阅+1) (3/2580) fengliu 2014-12-05 2014-12-09 18:29:02 by ysshj
[MS] [已完结]MS中能不能建一个AC的盒子模拟缓冲溶液,Nacl等盐如何添加 (评阅+1) (7/1932) yanwanghu 2014-04-08 2014-12-09 16:30:52 by Kiki.Hugh
[MS] [已完结]castep 结构优化过程中最大力不收敛 通常的解决办法是什么 求知道 (1/1933) mzlwait 2014-12-03 2014-12-09 16:21:05 by pcczhouwei
[MS] [已完结]castep求助 (评阅+1) (4/673) mzlwait 2014-12-07 2014-12-09 16:16:07 by pcczhouwei
[LAMMPS/ ] 温控方法和温控区域怎么选 (评阅+1) (4/2107) ysshj 2014-12-03 2014-12-09 14:31:43 by ysshj
[LAMMPS/ ] [已完结]怎样确定DL_POLY软件FIELD文件中涉及氢键的VDW参数?力场选Dreiding力场。 (评阅+1) (3/1653) cenwanglai 2014-12-07 2014-12-09 10:47:43 by lsloneil
[DS/Syby ] [已完结]DS对接中蛋白质活性位点定义问题 (3/2120) @漂洋过海@ 2014-09-18 2014-12-09 10:30:28 by monsoncupid
[MS] [已完结]单相扩散和气-液相扩散 (评阅+2) (1/458) seiko 2014-12-09 2014-12-09 09:52:54 by wqy2014
[MS] [已完结]请问,有人算过两种气体分子在孔道内的互扩散系数的么? (评阅+1) (0/262) aa2349439 2014-12-09 2014-12-09 08:37:29 by aa2349439
[其他] [已完结]大家找过功能基因吗? (评阅+1) (2/427) kuileiwawa 2014-12-08 2014-12-09 08:32:49 by kuileiwawa
[专家会诊] [已完结]Graphene Phonon Mean Free Path Calculation 石墨烯声子自由程计算 (1/705) sdzjc1988 2013-01-08 2014-12-09 08:08:22 by future_wl
[LAMMPS/ ] [已完结]lammps最新版28Jun14安装出问题 (评阅+1) (1/609) missingwudi 2014-10-22 2014-12-09 06:11:54 by daicong
[Gromacs ] [已完结]gromacs 4.5.5 以上版本的template 修改 (评阅+1) (0/296) yechao258 2014-12-08 2014-12-08 22:27:13 by yechao258
[MS] [已完结]分子模拟 (1/407) 玉琪 2014-12-08 2014-12-08 22:07:24 by iamthinking
[LAMMPS/ ] 关于lammps计算材料光学性质 (评阅+1) (1/1069) Iysonjoe 2014-12-08 2014-12-08 21:45:02 by oxox6085
[MS] [已完结]在线请教! (0/227) moirakaola 2014-12-08 2014-12-08 17:06:06 by moirakaola
[其他] [已完结]edem支持Linux系统 (0/1527) 20094958 2014-12-08 2014-12-08 16:36:24 by 20094958
[DS/Syby ] [已完结]Discovery Studio 2.5 用法求教 (1/983) Slotus5389 2014-11-14 2014-12-08 14:49:11 by 刘洪存
[专家会诊] [已完结]机械球磨法-模拟 (评阅+1) (3/984) zhang_jaj 2014-12-08 2014-12-08 11:53:25 by lsloneil
[MS] [已完结][关贴]纤维素单体吸附位置 (评阅+1) (0/348) xb490284223 2014-12-08 2014-12-08 10:51:13 by xb490284223
[LAMMPS/ ] [已完结]Warning:Building an occasional neighobr list when atoms may have moved too far (评阅+2) (4/784) 心转角 2014-01-17 2014-12-08 08:06:20 by 慕枫染
[MS] 中文核心期刊论文接收,保证毕业,散金币!    ( 1 2 ) (50/2441) zhaoerzheng 2014-07-14 2014-12-07 18:34:27 by fcwu
[MS] [已完结]在MS中怎样计算 无限稀活度系数? (评阅+1) (0/225) 学员uq13d8 2014-12-07 2014-12-07 13:58:59 by qq1046285711
[其他] 【分享】MOE 2009.10 (14/357) Maxis 2010-03-26 2014-12-07 13:51:13 by Colorpia
[其他] [已完结]求助论文 (2/253) 初学小生 2014-12-07 2014-12-07 09:58:38 by 初学小生
[ME/Gulp] 【求助】MS的GULP里的fit forcefield (4/2289) iamkz 2011-04-12 2014-12-06 20:56:29 by wangyulinup
[专家会诊] [已完结]gromacs中MM-GBSA计算 (7/2929) yuhua6613 2012-11-13 2014-12-06 13:56:00 by JurryPeng
[MS] [已完结]sorption模块Temperature cycles 怎么设置 (0/247) 海边的风 2014-12-05 2014-12-05 21:54:03 by 海边的风
[MS] [已完结]MS建模 (评阅+1) (8/1325) 敏sunflower 2014-11-24 2014-12-05 21:42:18 by 敏sunflower
[其他] 能不能使用GOLD进行多肽与多肽以及多肽与蛋白的分子对接 (2/640) cheor3war 2014-12-05 2014-12-05 20:23:21 by pymol
[LAMMPS/ ] [关贴]velocity拉伸在高应变率时拉不动 (4/327) 525850367 2014-12-05 2014-12-05 18:36:38 by 假大空
[LAMMPS/ ] [关贴]velocity拉伸在高应变率时拉不动 (5/774) 525850367 2014-12-05 2014-12-05 18:34:28 by 假大空
[Gromacs ] gromacs 中rdf问题 (评阅+1) (1/1691) zhuxinzhe 2014-12-05 2014-12-05 15:30:19 by 声梦奇缘001
[MS] [已完结][关贴]分子模拟 构建盒子环刺穿问题 (评阅+1) (7/844) 晏子青儿 2013-12-09 2014-12-05 12:58:10 by loveyouting
[MS] [已完结]多势文件的问题(pair_style hybrid) (评阅+6) (1/1873) catiatju 2014-03-06 2014-12-05 12:30:13 by sdczz
[LAMMPS/ ] [已完结]Atomeye有没有办法选择一类原子显示 (评阅+1) (4/1371) daicong 2014-12-05 2014-12-05 09:59:06 by daicong
[MS] [已完结]请教高斯09软件如何计算分子体积 (5/3088) chenkejie3550 2014-12-04 2014-12-05 09:49:41 by chenkejie3550
[Gromacs ] [已完结]gromacs能否设定温降速率? (评阅+1) (1/338) fish637 2014-10-21 2014-12-05 03:56:06 by wbn
[Gromacs ] [已完结]gromacs里rdf图里的纵坐标g(r)物理含义 (评阅+1) (1/2639) xwwjd 2014-09-19 2014-12-05 01:09:49 by wbn
[专家会诊] [已完结]请教分子模拟从算法到应用 (4/812) syh8938106 2014-12-03 2014-12-04 21:56:30 by happy369cyd
[Gromacs ] [已完结]请问怎样得到碳纳米管的itp呢? (评阅+1) (8/1038) 白玉浴血 2014-12-03 2014-12-04 16:46:22 by 白玉浴血
[LAMMPS/ ] [已完结][关贴]用pppm计算库仑力,出现问题,求解! (评阅+1) (0/1563) Iysonjoe 2014-12-04 2014-12-04 13:18:14 by Iysonjoe
[LAMMPS/ ] [已完结]DL_POLY equilibration不起作用 (1/373) Wendydudu 2011-05-18 2014-12-04 12:54:33 by rainsilent
[DS/Syby ] [已完结]求助:分子对接运行错误问题 (2/1030) 625915317 2014-11-26 2014-12-04 10:47:33 by 625915317
[Gromacs ] [已完结]用Amber计算结合自由能时py出现的cpptraj failed with prmtop com.prmtop!错误 (评阅+1) (0/1082) 上官若轩 2014-12-04 2014-12-04 10:10:56 by 上官若轩
[Monte C ] [已完结]请问用sorption计算 如何构建盒子中的512个气体分子 (2/323) 风铃儿0608 2014-12-03 2014-12-04 09:20:00 by pigrass
[其他] [已完结]wfn格式文件用AIM2000打不开 (1/634) 梦情天涯 2014-12-03 2014-12-03 21:10:47 by beefly
[Gromacs ] [已完结]Gromacs模拟中位置限制性模拟的问题!! (1/1252) zhangmao511 2014-11-25 2014-12-03 20:43:11 by zhangmao511
[Gromacs ] 请问这是什么情况? (5/1218) 白玉浴血 2014-12-03 2014-12-03 18:25:59 by syhorchid
[MS] [已完结]MS可以算两个分子之间的电子耦合(electronic couplings)能吗?    ( 1 2 ) (16/1848) fanghongxun 2014-11-14 2014-12-03 17:55:19 by mirmir
[其他] [已完结]Xming的问题,急求解决 (0/499) 小蜜蜂会叮人 2014-12-03 2014-12-03 15:59:36 by 小蜜蜂会叮人
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